Molecular bioactivity extrapolation to novel targets by support vector machines.
Gerard J. P. van WestenJörg K. WegnerAdriaan P. IJzermanHerman W. T. van VlijmenAndreas BenderPublished in: J. Cheminformatics (2010)
Keyphrases
- support vector
- learning machines
- large margin classifiers
- drug discovery
- support vector machine
- multi class
- feature selection
- generalization ability
- logistic regression
- loss function
- kernel function
- three dimensional
- classification accuracy
- target tracking
- learning algorithm
- drug design
- decision function
- training examples
- cross validation
- svm classifier
- model selection
- radial basis function
- flowshop
- hyperplane
- feature vectors
- linear discriminant analysis
- target detection
- high dimensional
- maximum margin
- kernel methods
- multiple targets
- target recognition
- generalization bounds
- multi target